PDB: 238582 resultsInfo pagesStatus searchChemie searchBIRD

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3SI2	Structure of glycosylated murine glutaminyl cyclase in presence of the inhibitor PQ50 (PDBD150) Descriptor: 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... Authors: Parthier, C, Carrillo, D, Stubbs, M.T. Deposit date: 2011-06-17 Release date: 2011-06-29 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structures of Glycosylated Mammalian Glutaminyl Cyclases Reveal Conformational Variability near the Active Center. Biochemistry, 50, 2011
4WAM	H. influenzae beta-carbonic anhydrase variant W39V/G41A/P48S/A49P Descriptor: PHOSPHATE ION, ZINC ION, beta-carbonic anhydrase Authors: Rowlett, R.S, Hoffman, K.M. Deposit date: 2014-08-29 Release date: 2014-12-31 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Allosteric Reversion of Haemophilus influenzae beta-Carbonic Anhydrase via a Proline Shift. Biochemistry, 54, 2015
3SOI	Crystallographic structure of Bacillus licheniformis beta-lactamase W210F/W229F/W251F at 1.73 angstrom resolution Descriptor: Beta-lactamase, CITRIC ACID Authors: Acierno, J.P, Capaldi, S, Risso, V.A, Monaco, H.L, Ermacora, M.R. Deposit date: 2011-06-30 Release date: 2011-12-14 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.729 Å) Cite: X-ray evidence of a native state with increased compactness populated by tryptophan-less B. licheniformis beta-lactamase. Protein Sci., 21, 2012
4WJX	Crystal structure of human chitotriosidase-1 catalytic domain at 1.0 A resolution Descriptor: Chitotriosidase-1, L(+)-TARTARIC ACID Authors: Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A. Deposit date: 2014-10-01 Release date: 2015-07-08 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (1 Å) Cite: New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM Acta Crystallogr.,Sect.D, 71, 2015
3JBH	TWO HEAVY MEROMYOSIN INTERACTING-HEADS MOTIFS FLEXIBLE DOCKED INTO TARANTULA THICK FILAMENT 3D-MAP ALLOWS IN DEPTH STUDY OF INTRA- AND INTERMOLECULAR INTERACTIONS Descriptor: MYOSIN 2 ESSENTIAL LIGHT CHAIN STRIATED MUSCLE, MYOSIN 2 HEAVY CHAIN STRIATED MUSCLE, MYOSIN 2 REGULATORY LIGHT CHAIN STRIATED MUSCLE Authors: Alamo, L, Qi, D, Wriggers, W, Pinto, A, Zhu, J, Bilbao, A, Gillilan, R.E, Hu, S, Padron, R. Deposit date: 2015-09-01 Release date: 2016-03-09 Last modified: 2024-02-21 Method: ELECTRON MICROSCOPY (20 Å) Cite: Conserved Intramolecular Interactions Maintain Myosin Interacting-Heads Motifs Explaining Tarantula Muscle Super-Relaxed State Structural Basis. J. Mol. Biol., 428, 2016
5JPN	Structure of human complement C4 rebuilt using iMDFF Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C4-A, ... Authors: Croll, T.I, Andersen, G.R. Deposit date: 2016-05-03 Release date: 2016-08-10 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (3.6 Å) Cite: Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4. Acta Crystallogr D Struct Biol, 72, 2016
8QHN	Streptococcus pyogenes GapN in complex with NADPH and erythrose-4-phosphate Descriptor: ERYTHOSE-4-PHOSPHATE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... Authors: Wirsing, R, Schindelin, H. Deposit date: 2023-09-08 Release date: 2025-06-04 Method: X-RAY DIFFRACTION (1.99 Å) Cite: Streptococcus pyogenes GapN in complex with NADPH and erythrose-4-phosphate To Be Published
7RVA	Updated Crystal Structure of Replication Initiator Protein REPE54. Descriptor: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*T)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*T)-3'), MAGNESIUM ION, ... Authors: Ward, A.R, Snow, C.D. Deposit date: 2021-08-18 Release date: 2021-09-01 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Stabilizing DNA-Protein Co-Crystals via Intra-Crystal Chemical Ligation of the DNA Crystals, 12, 2022
5JPM	Structure of the complex of human complement C4 with MASP-2 rebuilt using iMDFF Descriptor: Complement C4-A, Mannan-binding lectin serine protease 2, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose Authors: Croll, T.I, Andersen, G.R. Deposit date: 2016-05-03 Release date: 2016-08-10 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (3.75 Å) Cite: Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4. Acta Crystallogr D Struct Biol, 72, 2016
5JTW	Crystal structure of complement C4b re-refined using iMDFF Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C4-A Authors: Croll, T.I, Andersen, G.R. Deposit date: 2016-05-09 Release date: 2016-08-10 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (3.5 Å) Cite: Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4. Acta Crystallogr D Struct Biol, 72, 2016
7S86	Crystal structure of hydrophobin SC16, C2221 Descriptor: 1,2-ETHANEDIOL, Hydrophobin, SODIUM ION Authors: Vergunst, K.L, Langelaan, D.N. Deposit date: 2021-09-17 Release date: 2021-12-29 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (2 Å) Cite: The N-terminal tail of the hydrophobin SC16 is not required for rodlet formation Sci Rep, 12, 2022
6TOW	Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis complexed with xylotetraose. Descriptor: Reducing-end xylose-releasing exo-oligoxylanase Rex8A, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose Authors: Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J. Deposit date: 2019-12-12 Release date: 2020-05-27 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity. Febs J., 287, 2020
6TRH	Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis complexed with 3(3)-alpha-L-arabinofuranosyl-xylotetraose. Descriptor: Reducing-end xylose-releasing exo-oligoxylanase Rex8A, alpha-L-arabinofuranose-(1-3)-[beta-D-xylopyranose-(1-4)]beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose Authors: Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J. Deposit date: 2019-12-18 Release date: 2020-05-27 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity. Febs J., 287, 2020
3CZA	Crystal Structure of E18D DJ-1 Descriptor: MALONIC ACID, Protein DJ-1 Authors: Witt, A.C, Lakshminarasimhan, M, Remington, B.C, Hashim, S, Pozharski, E, Wilson, M.A. Deposit date: 2008-04-28 Release date: 2008-07-01 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Cysteine pKa depression by a protonated glutamic acid in human DJ-1. Biochemistry, 47, 2008
1KTW	IOTA-CARRAGEENASE COMPLEXED TO IOTA-CARRAGEENAN FRAGMENTS Descriptor: 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, ... Authors: Michel, G, Kahn, R, Dideberg, O. Deposit date: 2002-01-18 Release date: 2003-06-10 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (2 Å) Cite: The Structural Bases of the Processive Degradation of iota-Carrageenan, a Main Cell Wall Polysaccharide of Red Algae. J.Mol.Biol., 334, 2003
3CY6	Crystal Structure of E18Q DJ-1 Descriptor: Protein DJ-1 Authors: Witt, A.C, Lakshminarasimhan, M, Remington, B.C, Hasim, S, Pozharski, E, Wilson, M.A. Deposit date: 2008-04-25 Release date: 2008-07-01 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Cysteine pKa depression by a protonated glutamic acid in human DJ-1. Biochemistry, 47, 2008
4W55	T4 Lysozyme L99A with n-Propylbenzene Bound Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, propylbenzene Authors: Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. Deposit date: 2014-08-16 Release date: 2015-04-01 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.6401 Å) Cite: Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
4W58	T4 Lysozyme L99A with n-Pentylbenzene Bound Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, pentylbenzene Authors: Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. Deposit date: 2014-08-16 Release date: 2015-04-01 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
4W52	T4 Lysozyme L99A with Benzene Bound Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BENZENE, Endolysin Authors: Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. Deposit date: 2014-08-16 Release date: 2015-04-01 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.5001 Å) Cite: Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
4W54	T4 Lysozyme L99A with Ethylbenzene Bound Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, PHENYLETHANE Authors: Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. Deposit date: 2014-08-16 Release date: 2015-04-01 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.7901 Å) Cite: Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
4W57	T4 Lysozyme L99A with n-Butylbenzene Bound Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, N-BUTYLBENZENE Authors: Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. Deposit date: 2014-08-16 Release date: 2015-04-01 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.6801 Å) Cite: Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
6T99	Crystal structrue of RSL W31YW76Y lectin mutant in complex with alpha-methylfucoside Descriptor: Fucose-binding lectin protein, SODIUM ION, methyl alpha-L-fucopyranoside Authors: Houser, J, Kozmon, S, Wimmerova, M. Deposit date: 2019-10-26 Release date: 2020-04-22 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.7 Å) Cite: The CH-pi Interaction in Protein-Carbohydrate Binding: Bioinformatics and In Vitro Quantification. Chemistry, 26, 2020
6T9B	Crystal structrue of RSL W31A lectin mutant in complex with alpha-methylfucoside Descriptor: Fucose-binding lectin protein, GLYCINE, methyl alpha-L-fucopyranoside Authors: Houser, J, Komarek, J, Kozmon, S, Wimmerova, M. Deposit date: 2019-10-26 Release date: 2020-04-22 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.46 Å) Cite: The CH-pi Interaction in Protein-Carbohydrate Binding: Bioinformatics and In Vitro Quantification. Chemistry, 26, 2020
9JS5	Crystal structure of the ASFV-derived histone-like protein pA104R Descriptor: 1,2-ETHANEDIOL, SULFATE ION, Viral histone-like protein Authors: Li, Q, Shao, H, Yi, D, Cen, S. Deposit date: 2024-09-30 Release date: 2025-04-30 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Thonningianin A disrupts pA104R-DNA binding and inhibits African swine fever virus replication. Emerg Microbes Infect, 14, 2025
4CRP	Solution structure of a TrkAIg2 domain construct for use in drug discovery Descriptor: HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR Authors: Shoemark, D.K, Fahey, M, Williams, C, Sessions, R.B, Crump, M.P, Allen-Birt, S.J. Deposit date: 2014-02-28 Release date: 2015-01-14 Last modified: 2024-10-23 Method: SOLUTION NMR Cite: Design and Nuclear Magnetic Resonance (NMR) Structure Determination of the Second Extracellular Immunoglobulin Tyrosine Kinase a (Trkaig2) Domain Construct for Binding Site Elucidation in Drug Discovery J.Med.Chem., 58, 2015

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